5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine

C9H7Cl2N3O — CID 3054162

IUPAC5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESNc1noc(Cc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C9H7Cl2N3O/c10-6-1-2-7(11)5(3-6)4-8-13-9(12)14-15-8/h1-3H,4H2,(H2,12,14)
InChIKeyKLWCPNQAHRBFAG-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.55
Rot. Bonds2

About 5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine

5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 3054162) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID3054162
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESNc1noc(Cc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C9H7Cl2N3O/c10-6-1-2-7(11)5(3-6)4-8-13-9(12)14-15-8/h1-3H,4H2,(H2,12,14)
InChIKeyKLWCPNQAHRBFAG-UHFFFAOYSA-N
XLogP2.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine (CID 3054162) is 5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine is Nc1noc(Cc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is KLWCPNQAHRBFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-6-1-2-7(11)5(3-6)4-8-13-9(12)14-15-8/h1-3H,4H2,(H2,12,14).
What are the key properties of 5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine?
5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 244.08 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 3054162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).